SCHEMBL462002

SCHEMBL462002

CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 1/20 0.47
SCN9A Q15858 1/20 0.42
NTRK1 P04629 1/20 0.42
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.42
CHRM4 P08173 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PDE4B Q07343 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
JAK1 P23458 1/20 0.40
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
MC1R Q01726 1/20 0.39
ROCK2 O75116 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL462004 1.00 L3MBTL1 (0.47) L3MBTL1KMT2ASCN9ANTRK1KDM1A
SCHEMBL462010 0.93 L3MBTL1 (0.45) L3MBTL1KMT2ASCN9ANTRK1KDM1A
SCHEMBL462009 0.93 L3MBTL1 (0.45) L3MBTL1KMT2ASCN9ANTRK1KDM1A
SCHEMBL121388 0.91 KMT2A (0.48) L3MBTL1KMT2ACHRM4SIGMAR1DRD2
SCHEMBL1726613 0.91 KMT2A (0.48) L3MBTL1KMT2ACHRM4SIGMAR1DRD2
SCHEMBL143627 0.90 MC1R (0.49) L3MBTL1KMT2ASIGMAR1DRD2DRD3
SCHEMBL143625 0.90 MC1R (0.49) L3MBTL1KMT2ASIGMAR1DRD2DRD3
SCHEMBL143626 0.90 MC1R (0.49) L3MBTL1KMT2ASIGMAR1DRD2DRD3
SCHEMBL147672 0.90 KMT2A (0.48) L3MBTL1KMT2ACHRM4SIGMAR1DRD2
SCHEMBL147671 0.90 KMT2A (0.48) L3MBTL1KMT2ACHRM4SIGMAR1DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed